Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E05PEC)
DIG Name
Diethyl sebacate
Synonyms    Click to Show/Hide the Synonyms of This DIG
DIETHYL SEBACATE; Diethyl decanedioate; 110-40-7; Decanedioic acid, diethyl ester; Ethyl sebacate; Bisoflex DES; Sebacic acid, diethyl ester; Diethyl 1,10-decanedioate; Ethyl sebacate (VAN); Sebacic acid diethyl ester; Diethyl 1,8-octanedicarboxylate; UNII-I41B9FJK6V; NSC 8911; Decanedioic acid, 1,10-diethyl ester; Decanedioic Acid Diethyl Ester; 1,10-diethyl decanedioate; I41B9FJK6V; DECANEDIOIC ACID,DIETHYL ESTER; MFCD00009219; diethyl decane-1,10-dioate; FEMA No. 2376; EINECS 203-764-5; BRN 1790779; AI3-01970; Diethyl sebecate; Sebacic acid diethyl; Sebacinsaurediathylester; Diethyl sebacate (NF); Diethyl sebacate, 98%; DSSTox_CID_1915; DSSTox_RID_76399; DSSTox_GSID_21915; SCHEMBL33870; WLN: 2OV8VO2; 4-02-00-02080 (Beilstein Handbook Reference); ACMC-20995y; CHEMBL1884461; DTXSID0021915; FEMA 2376; NSC8911; NSC-8911; ZINC3875772; Tox21_301167; ANW-16148; Diethyl sebacate, analytical standard; SBB060047; STL280489; AKOS015915696; Diethyl sebacate, >=98%, FCC, FG; MCULE-8567024219; NE10640; NCGC00164103-01; NCGC00164103-02; NCGC00255065-01; AK113970; CAS-110-40-7; I848; FT-0686715; S0024; ST50825984; EN300-83817; D10682; W-108687; Q27280379; Diethyl sebacate, United States Pharmacopeia (USP) Reference Standard
DIG Function
Emollient; Penetration agent
PubChem CID
8049
Formula
C14H26O4
Canonical SMILES
CCOC(=O)CCCCCCCCC(=O)OCC
InChI
1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
InChIKey
ONKUXPIBXRRIDU-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=8049"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 258.35 Topological Polar Surface Area 52.6
XlogP 3.5 Complexity 202
Heavy Atom Count 18 Rotatable Bond Count 13
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4

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